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1- (3-cyclohexylphenyl) ethanone

CAT: 0127-OR1089123-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1089123-01Size:250 mg
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CAS Number
27163-89-9
MDL Number
MFCD35166724
Purity
95%
Smiles
C1 (cccc (c1) C1CCCCC1) C (=O) C

Chemical Information

1-(3-Cyclohexylphenyl)ethanone
CAS Number27163-89-9
PubChem CID19817776
IUPAC Name1-(3-cyclohexylphenyl)ethanone
Molecular FormulaC14H18O
Molecular Weight202.29
XLogP4.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity215
SMILES
CC(=O)C1=CC=CC(=C1)C2CCCCC2
InChI
InChI=1S/C14H18O/c1-11(15)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3
InChIKey
LLBAGTUXGLTIFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Cyclohexylphenyl)ethanone
CAS: 27163-89-9
CID: 19817776
Formula: C14H18O
MW: 202.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.29
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass202.135765193
Monoisotopic Mass202.135765193
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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